[Pw_forum] Error while writing to file

[Rafael Dias Menezes]

Dear Paolo Giannozzi

Your suspicion is correct. 

I'm having the same problem with quantum espresso in a alpha machine running a debian linux.

I already  trace the point that the code breaks down and I put some code to return the error message got by the fortran runtime : "Fortran runtime error: Writing more data than the record size (RECL)". That's in the file davcio.f90, the block of code is the following: 

55:  ELSE IF ( io > 0 ) THEN
56:     !
57:     WRITE( UNIT = unit, REC = nrec, IOSTAT = ios ) vect  ! rafael dias
58:     IF ( ios /= 0 ) THEN
59:  .....	 

Well, I change the #define DIRECT_IO_FACTOR to 8 and the code stop the don't break down more.


thanks, 
Rafael Dias


--- Em qua, 3/12/08, Paolo Giannozzi <xxxxxx at democritos.it> escreveu:

> De: Paolo Giannozzi <xxxxxx at democritos.it>
> ...
> it might also be related to the value of parameter
> DIRECT_IO_FACTOR,
> used in PW/diropn.f90:
> 
> #if defined(__ALPHA)
> #  define DIRECT_IO_FACTOR 2
> #else
> #  define DIRECT_IO_FACTOR 8
> #end
>    !
>    ! the  record length in direct-access I/O is given by
> the number of
>    ! real*8 words times DIRECT_IO_FACTOR (may depend on the
> compiler)
>    !
> 
> P.
> -- 
> Paolo Giannozzi, Democritos and University of Udine, Italy
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